p-Coumaroylglycine

Details

• Internal ID: d780a788-3684-40c9-b692-58287cb33950
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids
• IUPAC Name: 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]acetic acid
• SMILES (Canonical): C1=CC(=CC=C1C=CC(=O)NCC(=O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1/C=C/C(=O)NCC(=O)O)O
• InChI: InChI=1S/C11H11NO4/c13-9-4-1-8(2-5-9)3-6-10(14)12-7-11(15)16/h1-6,13H,7H2,(H,12,14)(H,15,16)/b6-3+
• InChI Key: NZSACLXQEHBCNF-ZZXKWVIFSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₁NO₄
• Molecular Weight: 221.21 g/mol
• Exact Mass: 221.06880783 g/mol
• Topological Polar Surface Area (TPSA): 86.60 Ų
• XlogP: 0.90

Synonyms

• SCHEMBL9810194

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.32%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.47%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.17%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.87%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.45%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.25%	95.56%
CHEMBL221	P23219	Cyclooxygenase-1	85.35%	90.17%
CHEMBL4208	P20618	Proteasome component C5	84.85%	90.00%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	83.48%	89.67%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.89%	96.09%

Plants that contains it

• Ephedra distachya

Cross-Links

• PubChem: 15160195
• LOTUS: LTS0125383
• wikiData: Q105188419